⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL8756 | 1.00 | — | — | |
| Ammonia Solution, Strong SCHEMBL28975722 | 0.89 | — | — | |
| SCHEMBL30528656 | 0.89 | — | — | |
| SCHEMBL7743207 | 0.89 | — | — | |
| SCHEMBL9388314 | 0.89 | — | — | |
| SCHEMBL28626809 | 0.89 | — | — | |
| SCHEMBL5367692 | 0.89 | — | — | |
| SCHEMBL4114327 | 0.89 | — | — | |
| SCHEMBL29057764 | 0.89 | — | — | |
| SCHEMBL1395889 | 0.82 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5237072-A | Contacting an imidazoline sulfonic acid with at least one amine component in presence of alcohol-containing liquid | ALLERGAN, INC. (US) | 1993-08-17 | — | — | US | disclosed |
| US-5130441-A | Reaction of an imidazoline sulfonic acid with an amine in the presence of an alcohol | ALLERGAN, INC. (US) | 1992-07-14 | — | — | US | disclosed |